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1,4-Bis(2-ethylhexyl)benzene

1,4-Bis(2-ethylhexyl)benzene - CAS 87117-22-4

Catalog:	BB038272
Product Name:	1,4-Bis(2-ethylhexyl)benzene
CAS:	87117-22-4
Synonyms:	Benzene, 1,4-bis(2-ethylhexyl)-

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BB038272	1 g	$399	In stock

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Computed Properties

IUPAC Name:	1,4-bis(2-ethylhexyl)benzene
Description:	1,4-Bis(2-ethylhexyl)benzene is a useful research chemical.
Molecular Weight:	302.55
Molecular Formula:	C22H38
Canonical SMILES:	CCCCC(CC)CC1=CC=C(C=C1)CC(CC)CCCC
InChI:	InChI=1S/C22H38/c1-5-9-11-19(7-3)17-21-13-15-22(16-14-21)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key:	KGDLKOAYUABDIH-UHFFFAOYSA-N
Boiling Point:	190 °C at 0.4 mmHg (lit.)
Density:	0.851 g/cm³
MDL:	MFCD06200711
LogP:	7.20440

Publication Number	Title	Priority Date
KR-20130040570-A	Ink composition for roll printing and color filter prepared from the same	20111014
WO-2012142469-A1	Semiconducting polymers	20110415
US-2012329692-A1	Wet Friction Clutch - Lubricant Systems Providing High Dynamic Coefficients of Friction Through the Use of Sodium Detergents	20100219
WO-2011102835-A1	Wet friction clutch-lubricant systems providing high dynamic coefficients of friction through the use of sodium detergents	20100219
WO-2011102836-A1	Wet friction clutch-lubricant systems providing high dynamic coefficients of friction through the use of borated detergents	20100219

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1,4-Bis(2-ethylhexyl)benzene

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P273, P280, P305+P351+P338, P337+P313, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.297351212
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.297351212
Rotatable Bond Count:	12
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	9.4